2-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1968 |
| Compound Name: | 2-{[(cyclopropylmethyl)(methoxyacetyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 529.48 |
| Molecular Formula: | C24 H30 Cl2 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(COC)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8711 |
| logD: | 4.8603 |
| logSw: | -4.9518 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.453 |
| InChI Key: | CGFQFTDMPXANDG-UHFFFAOYSA-N |